(3-methoxyphenyl)(113C)methanol

C8H10O2 — CID 11593446

IUPAC(3-methoxyphenyl)(113C)methanol
SMILESCOc1cccc([13CH2]O)c1
InChIInChI=1S/C8H10O2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3/i6+1
InChIKeyIIGNZLVHOZEOPV-PTQBSOBMSA-N
MW139.16 g/mol
LogP1.19
Rot. Bonds2

About (3-methoxyphenyl)(113C)methanol

(3-methoxyphenyl)(113C)methanol (PubChem CID 11593446) has the molecular formula C8H10O2 and a molecular weight of 139.16 g/mol. Its IUPAC name is (3-methoxyphenyl)(113C)methanol.

Molecular Properties

Compound Name(3-methoxyphenyl)(113C)methanol
PubChem CID11593446
Molecular FormulaC8H10O2
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name(3-methoxyphenyl)(113C)methanol
SMILESCOc1cccc([13CH2]O)c1
InChIInChI=1S/C8H10O2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3/i6+1
InChIKeyIIGNZLVHOZEOPV-PTQBSOBMSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene
CID 91163567
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(3-methoxyphenyl)methanethiol
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1-methoxy-3-propylbenzene
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1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
CID 87640434
CID 87640434
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541270
[3-(3-methylbutan-2-yloxy)phenyl]methanol
CID 89173621
2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81134166

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)(113C)methanol?
The IUPAC name of (3-methoxyphenyl)(113C)methanol (CID 11593446) is (3-methoxyphenyl)(113C)methanol.
What is the SMILES notation for (3-methoxyphenyl)(113C)methanol?
The canonical SMILES for (3-methoxyphenyl)(113C)methanol is COc1cccc([13CH2]O)c1.
What is the InChIKey of (3-methoxyphenyl)(113C)methanol?
The InChIKey is IIGNZLVHOZEOPV-PTQBSOBMSA-N. The full InChI is InChI=1S/C8H10O2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3/i6+1.
What are the key properties of (3-methoxyphenyl)(113C)methanol?
(3-methoxyphenyl)(113C)methanol has a molecular weight of 139.16 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)(113C)methanol is sourced from PubChem (CID 11593446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).