methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate

C18H14O3 — CID 169271541

IUPACmethyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(O)c2)c2ccccc12
InChIInChI=1S/C18H14O3/c1-21-18(20)17-10-9-14(12-5-4-6-13(19)11-12)15-7-2-3-8-16(15)17/h2-11,19H,1H3
InChIKeyVPRHCWHQJXFYBP-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.00
Rot. Bonds2

About methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate

methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate (PubChem CID 169271541) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate
PubChem CID169271541
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Namemethyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(O)c2)c2ccccc12
InChIInChI=1S/C18H14O3/c1-21-18(20)17-10-9-14(12-5-4-6-13(19)11-12)15-7-2-3-8-16(15)17/h2-11,19H,1H3
InChIKeyVPRHCWHQJXFYBP-UHFFFAOYSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)benzoyl]benzoate
CID 56850366
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
methyl 4-(3-hydroxyphenyl)-3-methylbenzoate
CID 169272062
N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide
CID 172671517
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate
CID 164575605
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide
CID 166000497
methyl 2-triphenylen-2-ylbenzoate
CID 142724319
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 4-formylnaphthalene-1-carboxylate
CID 10330854

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate?
The IUPAC name of methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate (CID 169271541) is methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate.
What is the SMILES notation for methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate?
The canonical SMILES for methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate is COC(=O)c1ccc(-c2cccc(O)c2)c2ccccc12.
What is the InChIKey of methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate?
The InChIKey is VPRHCWHQJXFYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-21-18(20)17-10-9-14(12-5-4-6-13(19)11-12)15-7-2-3-8-16(15)17/h2-11,19H,1H3.
What are the key properties of methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate?
methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate is sourced from PubChem (CID 169271541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).