(E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol

C22H22O — CID 122206175

IUPAC(E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol
SMILESCC/C=C/[C@@H](c1cccc2ccccc12)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H22O/c1-2-3-14-21(22(23)18-11-5-4-6-12-18)20-16-9-13-17-10-7-8-15-19(17)20/h3-16,21-23H,2H2,1H3/b14-3+/t21-,22-/m0/s1
InChIKeyHSNNAJZQDFBFGJ-HUCKVTBYSA-N
MW302.42 g/mol
LogP5.62
Rot. Bonds5

About (E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol

(E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol (PubChem CID 122206175) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is (E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol.

Molecular Properties

Compound Name(E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol
PubChem CID122206175
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name(E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol
SMILESCC/C=C/[C@@H](c1cccc2ccccc12)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H22O/c1-2-3-14-21(22(23)18-11-5-4-6-12-18)20-16-9-13-17-10-7-8-15-19(17)20/h3-16,21-23H,2H2,1H3/b14-3+/t21-,22-/m0/s1
InChIKeyHSNNAJZQDFBFGJ-HUCKVTBYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
(2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile
CID 102509565
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one
CID 14387515
ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
CID 71517486
2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one
CID 139998255
N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide
CID 171616627
methyl (2S,3S)-3-hydroxy-3-naphthalen-1-yl-2-phenylpropanoate
CID 10852177
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
methyl (3R,4S)-4-hydroxy-2-methylidene-3-naphthalen-1-yl-4-phenylbutanoate
CID 164516866
benzyl (Z,2R)-2-[(R)-hydroxy(phenyl)methyl]hex-3-enoate
CID 146168764
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349

Frequently Asked Questions

What is the IUPAC name of (E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol?
The IUPAC name of (E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol (CID 122206175) is (E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol.
What is the SMILES notation for (E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol?
The canonical SMILES for (E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol is CC/C=C/[C@@H](c1cccc2ccccc12)[C@@H](O)c1ccccc1.
What is the InChIKey of (E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol?
The InChIKey is HSNNAJZQDFBFGJ-HUCKVTBYSA-N. The full InChI is InChI=1S/C22H22O/c1-2-3-14-21(22(23)18-11-5-4-6-12-18)20-16-9-13-17-10-7-8-15-19(17)20/h3-16,21-23H,2H2,1H3/b14-3+/t21-,22-/m0/s1.
What are the key properties of (E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol?
(E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol has a molecular weight of 302.42 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol is sourced from PubChem (CID 122206175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).