[4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol

C22H26O — CID 6439269

IUPAC[4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol
SMILESC/C(=C\c1ccc(CO)cc1)c1ccc2c(c1)C(C)(C)CCC2
InChIInChI=1S/C22H26O/c1-16(13-17-6-8-18(15-23)9-7-17)20-11-10-19-5-4-12-22(2,3)21(19)14-20/h6-11,13-14,23H,4-5,12,15H2,1-3H3/b16-13+
InChIKeyDYYLLTMYNNLNMB-DTQAZKPQSA-N
MW306.45 g/mol
LogP5.35
Rot. Bonds3

About [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol

[4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol (PubChem CID 6439269) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol
PubChem CID6439269
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name[4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol
SMILESC/C(=C\c1ccc(CO)cc1)c1ccc2c(c1)C(C)(C)CCC2
InChIInChI=1S/C22H26O/c1-16(13-17-6-8-18(15-23)9-7-17)20-11-10-19-5-4-12-22(2,3)21(19)14-20/h6-11,13-14,23H,4-5,12,15H2,1-3H3/b16-13+
InChIKeyDYYLLTMYNNLNMB-DTQAZKPQSA-N
XLogP5.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 15586718
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CID 596875
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CID 73848
1-Pyrenemethanol
CID 104977
Benzo(a)pyrene-7,8-dihydrodiol
CID 25892
12-Methylbenz(a)anthracene-7-methanol
CID 11285
2-Naphthalenemethanol
CID 74128
3,4-Dimethylbenzyl alcohol
CID 23407
Bay 27-9955
CID 5311277
(1,1'-Biphenyl)-4-methanol
CID 19186
2,4-Dimethylbenzyl alcohol
CID 27809

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol?
The IUPAC name of [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol (CID 6439269) is [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol.
What is the SMILES notation for [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol?
The canonical SMILES for [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol is C/C(=C\c1ccc(CO)cc1)c1ccc2c(c1)C(C)(C)CCC2.
What is the InChIKey of [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol?
The InChIKey is DYYLLTMYNNLNMB-DTQAZKPQSA-N. The full InChI is InChI=1S/C22H26O/c1-16(13-17-6-8-18(15-23)9-7-17)20-11-10-19-5-4-12-22(2,3)21(19)14-20/h6-11,13-14,23H,4-5,12,15H2,1-3H3/b16-13+.
What are the key properties of [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol?
[4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol has a molecular weight of 306.45 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol is sourced from PubChem (CID 6439269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).