(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol

C18H15ClO2 — CID 61099330

IUPAC(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
SMILESCOc1ccc(C(O)c2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C18H15ClO2/c1-21-17-9-8-15(11-16(17)19)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,18,20H,1H3
InChIKeyYRYVTTQUOGJBAO-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.58
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol

(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol (PubChem CID 61099330) has the molecular formula C18H15ClO2 and a molecular weight of 298.77 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
PubChem CID61099330
Molecular FormulaC18H15ClO2
Molecular Weight298.77 g/mol
Exact Mass298.08
IUPAC Name(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
SMILESCOc1ccc(C(O)c2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C18H15ClO2/c1-21-17-9-8-15(11-16(17)19)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,18,20H,1H3
InChIKeyYRYVTTQUOGJBAO-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
(3-chloro-4-methoxyphenyl)-(3-fluorophenyl)methanol
CID 61101567
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 61099841
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]naphthalene
CID 63427689
(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63743010
2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene
CID 56601628
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
anthracen-2-yl(phenyl)methanol
CID 15685338

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol (CID 61099330) is (3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol is COc1ccc(C(O)c2ccc3ccccc3c2)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol?
The InChIKey is YRYVTTQUOGJBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO2/c1-21-17-9-8-15(11-16(17)19)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,18,20H,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol?
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol has a molecular weight of 298.77 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol is sourced from PubChem (CID 61099330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).