3-(2-methoxyphenyl)cyclohept-2-en-1-ol

C14H18O2 — CID 107383616

IUPAC3-(2-methoxyphenyl)cyclohept-2-en-1-ol
SMILESCOc1ccccc1C1=CC(O)CCCC1
InChIInChI=1S/C14H18O2/c1-16-14-9-5-4-8-13(14)11-6-2-3-7-12(15)10-11/h4-5,8-10,12,15H,2-3,6-7H2,1H3
InChIKeyFXQWFCWQNKWRNE-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.01
Rot. Bonds2

About 3-(2-methoxyphenyl)cyclohept-2-en-1-ol

3-(2-methoxyphenyl)cyclohept-2-en-1-ol (PubChem CID 107383616) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-(2-methoxyphenyl)cyclohept-2-en-1-ol
PubChem CID107383616
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(2-methoxyphenyl)cyclohept-2-en-1-ol
SMILESCOc1ccccc1C1=CC(O)CCCC1
InChIInChI=1S/C14H18O2/c1-16-14-9-5-4-8-13(14)11-6-2-3-7-12(15)10-11/h4-5,8-10,12,15H,2-3,6-7H2,1H3
InChIKeyFXQWFCWQNKWRNE-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol
CID 104662829
(1S)-3-phenylcyclohept-2-en-1-ol
CID 154717661
3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol
CID 65174652
3-(2-methylphenyl)cyclopent-2-en-1-ol
CID 65174603
3-chloro-1-(2-propan-2-yloxyphenyl)cycloheptene
CID 107383757
3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopent-2-en-1-ol
CID 18957483
3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol
CID 107383540
(9aS)-3-(2-methoxyphenyl)-7,8,9,9a-tetrahydro-6H-[1,2,4]triazolo[4,3-b][4,1,2]benzothiadiazine
CID 9464124
3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol
CID 107383538
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
(2E)-2-[3-(2-methoxyphenyl)cyclopent-2-en-1-ylidene]acetic acid
CID 82288716
3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol
CID 10822113

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)cyclohept-2-en-1-ol?
The IUPAC name of 3-(2-methoxyphenyl)cyclohept-2-en-1-ol (CID 107383616) is 3-(2-methoxyphenyl)cyclohept-2-en-1-ol.
What is the SMILES notation for 3-(2-methoxyphenyl)cyclohept-2-en-1-ol?
The canonical SMILES for 3-(2-methoxyphenyl)cyclohept-2-en-1-ol is COc1ccccc1C1=CC(O)CCCC1.
What is the InChIKey of 3-(2-methoxyphenyl)cyclohept-2-en-1-ol?
The InChIKey is FXQWFCWQNKWRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-14-9-5-4-8-13(14)11-6-2-3-7-12(15)10-11/h4-5,8-10,12,15H,2-3,6-7H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)cyclohept-2-en-1-ol?
3-(2-methoxyphenyl)cyclohept-2-en-1-ol has a molecular weight of 218.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)cyclohept-2-en-1-ol is sourced from PubChem (CID 107383616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).