(2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol

C10H16O — CID 134966693

IUPAC(2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
SMILESCC1=CC=C([C@H](C)CO)CC1
InChIInChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,5,9,11H,4,6-7H2,1-2H3/t9-/m1/s1
InChIKeyHJVQCSCYUKRTCP-SECBINFHSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds2

About (2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol

(2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol (PubChem CID 134966693) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
PubChem CID134966693
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
SMILESCC1=CC=C([C@H](C)CO)CC1
InChIInChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,5,9,11H,4,6-7H2,1-2H3/t9-/m1/s1
InChIKeyHJVQCSCYUKRTCP-SECBINFHSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Menthadienol
CID 527143
p-MENTH-1-EN-9-OL
CID 86753
Isocyclogeraniol
CID 109458
Limonen-10-ol, (+)-
CID 11019061
Methylcyclohexenyl butanol
CID 85903
3-Cyclohexene-1-methanol, 2,4-dimethyl-
CID 106743
(4-Propan-2-ylcyclohexa-1,3-dien-1-yl)methanol
CID 556567
(3,5-Dimethylcyclohex-3-en-1-yl)methanol
CID 106742
6-Ethyl-3-methyloct-6-en-1-ol
CID 117306
2-Cyclohexene-1-methanol, 4-(1-methylethyl)-
CID 564463
p-Menth-3-en-9-ol
CID 579276
3-(4-Methyl-3-cyclohexen-1-yl)-3-butenol
CID 85905

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol?
The IUPAC name of (2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol (CID 134966693) is (2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol?
The canonical SMILES for (2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol is CC1=CC=C([C@H](C)CO)CC1.
What is the InChIKey of (2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol?
The InChIKey is HJVQCSCYUKRTCP-SECBINFHSA-N. The full InChI is InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,5,9,11H,4,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol?
(2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol is sourced from PubChem (CID 134966693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).