(3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol

C18H26O2 — CID 134861744

IUPAC(3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol
SMILESC=CCCCC(O)(C=C)[C@@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C18H26O2/c1-5-8-9-14-18(19,7-3)17(6-2)15-10-12-16(20-4)13-11-15/h5,7,10-13,17,19H,1,3,6,8-9,14H2,2,4H3/t17-,18?/m0/s1
InChIKeyCMJZPJJVKBPBHG-ZENAZSQFSA-N
MW274.40 g/mol
LogP4.46
Rot. Bonds9

About (3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol

(3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol (PubChem CID 134861744) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol.

Molecular Properties

Compound Name(3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol
PubChem CID134861744
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol
SMILESC=CCCCC(O)(C=C)[C@@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C18H26O2/c1-5-8-9-14-18(19,7-3)17(6-2)15-10-12-16(20-4)13-11-15/h5,7,10-13,17,19H,1,3,6,8-9,14H2,2,4H3/t17-,18?/m0/s1
InChIKeyCMJZPJJVKBPBHG-ZENAZSQFSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
prop-2-enyl 3,3,3-trifluoro-2-(4-methoxyphenyl)propanoate
CID 71473221
N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine
CID 112551779
[(1R)-1-(4-methoxyphenyl)but-3-enyl] acetate
CID 10955082
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
CID 144875498
(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid
CID 142815770
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
N-[(1R)-1-(4-methoxyphenyl)ethyl]but-3-en-1-amine
CID 71661481
methyl 2,2-dibromo-3-(4-methoxyphenyl)-3-(prop-2-enylamino)propanoate
CID 176895460
1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one
CID 23242882
undec-10-enyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 100917126

Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol?
The IUPAC name of (3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol (CID 134861744) is (3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol.
What is the SMILES notation for (3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol?
The canonical SMILES for (3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol is C=CCCCC(O)(C=C)[C@@H](CC)c1ccc(OC)cc1.
What is the InChIKey of (3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol?
The InChIKey is CMJZPJJVKBPBHG-ZENAZSQFSA-N. The full InChI is InChI=1S/C18H26O2/c1-5-8-9-14-18(19,7-3)17(6-2)15-10-12-16(20-4)13-11-15/h5,7,10-13,17,19H,1,3,6,8-9,14H2,2,4H3/t17-,18?/m0/s1.
What are the key properties of (3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol?
(3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol has a molecular weight of 274.40 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol is sourced from PubChem (CID 134861744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).