(2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol

C19H22O3 — CID 23946778

IUPAC(2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol
SMILESC/C(=C\c1ccc(O)c2ccccc12)CC[C@@H](O)/C=C\CO
InChIInChI=1S/C19H22O3/c1-14(8-10-16(21)5-4-12-20)13-15-9-11-19(22)18-7-3-2-6-17(15)18/h2-7,9,11,13,16,20-22H,8,10,12H2,1H3/b5-4-,14-13+/t16-/m0/s1
InChIKeyXEMYXPWAZWNFII-CWWOICMISA-N
MW298.38 g/mol
LogP3.64
Rot. Bonds6

About (2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol

(2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol (PubChem CID 23946778) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol.

Molecular Properties

Compound Name(2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol
PubChem CID23946778
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol
SMILESC/C(=C\c1ccc(O)c2ccccc12)CC[C@@H](O)/C=C\CO
InChIInChI=1S/C19H22O3/c1-14(8-10-16(21)5-4-12-20)13-15-9-11-19(22)18-7-3-2-6-17(15)18/h2-7,9,11,13,16,20-22H,8,10,12H2,1H3/b5-4-,14-13+/t16-/m0/s1
InChIKeyXEMYXPWAZWNFII-CWWOICMISA-N
XLogP3.64
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol
CID 23974829
[3-[(3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(4-hydroxynaphthalen-1-yl)-4-methylpent-4-enyl]-4,6-bis(hydroxymethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid
CID 23776480
[3-[(3aS,4R,7aR)-6-ethyl-5-[(E,1R)-1-hydroxy-5-(4-hydroxynaphthalen-1-yl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid
CID 23890487
(2Z,4R,7Z)-8-(5-bromo-2-hydroxyphenyl)-7-pyridin-2-ylocta-2,7-diene-1,4-diol
CID 135754904
(1S,2R,3R,6E)-2-ethenyl-6-[(4-hydroxynaphthalen-1-yl)methylidene]-1-phenylnonane-1,3-diol
CID 23776822
4-ethenylnaphthalen-1-ol;yttrium
CID 59524551
(E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol
CID 23834663
(2Z,7Z)-8-(4-hydroxynaphthalen-1-yl)-3-(3-methylbut-1-en-2-yl)-7-pyridin-2-ylocta-2,7-diene-1,4-diol
CID 135775466
2-methylpropane;naphthalene-1,4-diol
CID 144756444
6-[(3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(4-hydroxynaphthalen-1-yl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-(methoxymethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid
CID 23805546
(3aS,4R,7aR)-2-[3,5-bis(trifluoromethyl)phenyl]-5-[(E,1R)-1-hydroxy-5-(4-hydroxynaphthalen-1-yl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-(methoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 23862686
(3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(4-hydroxynaphthalen-1-yl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 23946451

Frequently Asked Questions

What is the IUPAC name of (2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol?
The IUPAC name of (2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol (CID 23946778) is (2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol.
What is the SMILES notation for (2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol?
The canonical SMILES for (2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol is C/C(=C\c1ccc(O)c2ccccc12)CC[C@@H](O)/C=C\CO.
What is the InChIKey of (2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol?
The InChIKey is XEMYXPWAZWNFII-CWWOICMISA-N. The full InChI is InChI=1S/C19H22O3/c1-14(8-10-16(21)5-4-12-20)13-15-9-11-19(22)18-7-3-2-6-17(15)18/h2-7,9,11,13,16,20-22H,8,10,12H2,1H3/b5-4-,14-13+/t16-/m0/s1.
What are the key properties of (2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol?
(2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol has a molecular weight of 298.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol is sourced from PubChem (CID 23946778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).