(1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol

C17H16O — CID 175313272

IUPAC(1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol
SMILESOCC1(c2cccc3ccccc23)C=CC=CC1
InChIInChI=1S/C17H16O/c18-13-17(11-4-1-5-12-17)16-10-6-8-14-7-2-3-9-15(14)16/h1-11,18H,12-13H2
InChIKeyZWTPQTVIUXCRBS-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.59
Rot. Bonds2

About (1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol

(1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 175313272) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID175313272
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol
SMILESOCC1(c2cccc3ccccc23)C=CC=CC1
InChIInChI=1S/C17H16O/c18-13-17(11-4-1-5-12-17)16-10-6-8-14-7-2-3-9-15(14)16/h1-11,18H,12-13H2
InChIKeyZWTPQTVIUXCRBS-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 71360808
CID 71360808
Silanol, methyl-1-naphthalenylphenyl-, (1S)-
CID 71352797
[4-[[(1S)-1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl]amino]phenyl]boronic acid
CID 99874152
[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141234682
[2-(1-phenylcyclohexa-2,4-dien-1-yl)phenyl]methanol
CID 155775169
(2,2-dimethyl-1-naphthalen-1-ylcyclopropyl)methanol
CID 116842745
1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)isoquinoline
CID 174464915
(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
CID 174888236
2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine
CID 141124285
[1-(1-naphthalen-1-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]carbamic acid
CID 121399256
[1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane
CID 67855061
[1-(1-fluorocyclohexa-2,4-dien-1-yl)isoquinolin-3-yl]methanol
CID 67858434

Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol (CID 175313272) is (1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol is OCC1(c2cccc3ccccc23)C=CC=CC1.
What is the InChIKey of (1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is ZWTPQTVIUXCRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c18-13-17(11-4-1-5-12-17)16-10-6-8-14-7-2-3-9-15(14)16/h1-11,18H,12-13H2.
What are the key properties of (1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol?
(1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 236.31 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 175313272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).