(2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol

C19H28O3 — CID 23834664

IUPAC(2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol
SMILESC=C[C@H]([C@H](O)CC/C(=C/c1ccccc1O)CCC)[C@@H](C)O
InChIInChI=1S/C19H28O3/c1-4-8-15(13-16-9-6-7-10-18(16)21)11-12-19(22)17(5-2)14(3)20/h5-7,9-10,13-14,17,19-22H,2,4,8,11-12H2,1,3H3/b15-13+/t14-,17+,19-/m1/s1
InChIKeyMINRYIKGBIZHHX-GHFNFZOGSA-N
MW304.43 g/mol
LogP3.90
Rot. Bonds9

About (2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol

(2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol (PubChem CID 23834664) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol
PubChem CID23834664
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name(2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol
SMILESC=C[C@H]([C@H](O)CC/C(=C/c1ccccc1O)CCC)[C@@H](C)O
InChIInChI=1S/C19H28O3/c1-4-8-15(13-16-9-6-7-10-18(16)21)11-12-19(22)17(5-2)14(3)20/h5-7,9-10,13-14,17,19-22H,2,4,8,11-12H2,1,3H3/b15-13+/t14-,17+,19-/m1/s1
InChIKeyMINRYIKGBIZHHX-GHFNFZOGSA-N
XLogP3.90
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.90
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

(1S,2R,3R,6E)-2-ethenyl-6-[(2-hydroxyphenyl)methylidene]-1-thiophen-2-ylnonane-1,3-diol
CID 23834665
(E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol
CID 23834663
ethyl (2S,3R,4R,7E)-3-ethenyl-2,4-dihydroxy-7-[(2-hydroxyphenyl)methylidene]nonanoate
CID 23890818
(1S,2R,3R,6E)-2-ethenyl-6-[(4-hydroxynaphthalen-1-yl)methylidene]-1-phenylnonane-1,3-diol
CID 23776822
(2S,3R,4R,7E)-7-[(2-chloro-4-hydroxyphenyl)methylidene]-3-ethenyl-1-phenylmethoxydecane-2,4-diol
CID 23946800
(Z,1S,2R,3R)-2-ethenyl-7-(2-hydroxyphenyl)-1-(4-methoxyphenyl)-6-phenylhept-6-ene-1,3-diol
CID 23918855
(Z,1S,2R,3R)-2-ethenyl-7-(2-hydroxyphenyl)-6-phenyl-1-thiophen-2-ylhept-6-ene-1,3-diol
CID 23890819
(1S,2R,3R,6E)-2-ethenyl-6-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1-(4-methoxyphenyl)nonane-1,3-diol
CID 23747634
(Z,2R,3S,4R)-3-ethenyl-8-(4-hydroxy-3,5-dimethylphenyl)-7-pyridin-2-yloct-7-ene-2,4-diol
CID 135760165
(Z,1S,2R,3R)-2-ethenyl-7-(2-hydroxyphenyl)-6-pyridin-2-yl-1-thiophen-2-ylhept-6-ene-1,3-diol
CID 135671112
2-ethenylphenol
CID 161061609
2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol
CID 14869652

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol?
The IUPAC name of (2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol (CID 23834664) is (2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol.
What is the SMILES notation for (2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol?
The canonical SMILES for (2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol is C=C[C@H]([C@H](O)CC/C(=C/c1ccccc1O)CCC)[C@@H](C)O.
What is the InChIKey of (2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol?
The InChIKey is MINRYIKGBIZHHX-GHFNFZOGSA-N. The full InChI is InChI=1S/C19H28O3/c1-4-8-15(13-16-9-6-7-10-18(16)21)11-12-19(22)17(5-2)14(3)20/h5-7,9-10,13-14,17,19-22H,2,4,8,11-12H2,1,3H3/b15-13+/t14-,17+,19-/m1/s1.
What are the key properties of (2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol?
(2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol has a molecular weight of 304.43 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol is sourced from PubChem (CID 23834664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).